CAS号:492-08-0-鹰爪豆碱(液体) - (+)-Sparteine-科华智慧

1. 主信息

英文名:	(+)-Sparteine
中文名:	鹰爪豆碱(液体)
CAS编号:	492-08-0
化学分子式：	C₁₅H₂₆N₂
化学分子量：	234.38 g/mol
SMILES：	C1CCN2CC3CC(C2C1)CN4C3CCCC4
来源：	-
结构类型：	-
其它名称或标识：	7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))- alpha Isosparteine alpha-Isosparteine Anhydrous, Sparteine Sulfate beta Isosparteine

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	GC≥98%	192	点击购买	2-8℃	现货	-
科华智慧	1g	97%	84	点击购买	2-8℃	现货	-
科华智慧	5g	97%	312	点击购买	2-8℃	现货	-
科华智慧	25g	97%	1280	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 43 46 0 1 0 0 0 0 0999 V2000 -1.1028 0.7027 -0.2345 N 0 0 2 0 0 0 0 0 0 0 0 0 1.5035 -0.5001 -0.6146 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.6101 -1.7574 -0.0534 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3388 -0.2031 1.6051 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5898 -0.6544 -0.5521 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6849 -0.1895 0.8196 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3039 -1.5822 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 0.8651 1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -1.7359 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -0.8989 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 1.1500 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 1.7476 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -0.5667 -1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9861 0.1771 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 1.1355 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 1.5654 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 0.7449 -1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 -2.7408 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5575 -0.0480 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -0.7370 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 -0.9710 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 -2.3695 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 -1.6664 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 0.8101 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 1.8617 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.6076 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 -1.8561 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 -0.9179 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3784 -1.8793 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 1.3550 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 1.9780 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 1.7517 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 2.7376 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 -0.7596 -2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 -1.3925 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 0.0296 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 0.0883 -1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 0.4208 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 2.1217 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 2.3247 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 1.7202 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 1.5430 -1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 0.6470 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

4.2 InChl

InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1

4.3 InChlKey

SLRCCWJSBJZJBV-TUVASFSCSA-N

4.4 Canonical SMILES

C1CCN2CC3CC(C2C1)CN4C3CCCC4

4.5 lsomeric SMILES

C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 20 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -4.66014 0.896644 0 0
M  V30 2 C -4.66032 1.79346 0 0
M  V30 3 C -3.88374 2.24202 0 0
M  V30 4 N -3.10699 1.79377 0 0
M  V30 5 C -2.3301 2.24225 0 0
M  V30 6 C -1.5534 1.79383 0 0
M  V30 7 C -1.55359 0.896913 0 0
M  V30 8 C -2.33011 0.448526 0 0
M  V30 9 C -3.10681 0.896954 0 0
M  V30 10 C -3.88338 0.448392 0 0
M  V30 11 C -1.55364 0.000233033 0 0
M  V30 12 N -0.776888 0.448486 0 0
M  V30 13 C -0.776933 1.34553 0 0
M  V30 14 C -8.84467e-05 1.7941 0 0
M  V30 15 C 0.7768 1.34561 0 0
M  V30 16 C 0.776844 0.448562 0 0
M  V30 17 C 0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 10
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 9
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 6 13
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 8 9
M  V30 12 1 8 11
M  V30 13 1 9 10
M  V30 14 1 11 12
M  V30 15 1 12 17
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
鸡血藤	Suberect Spatholobus Stem	Caulis Millettiae; Caulis spatholobi
苦檀子	Thickfruit Millettia	Millettia pachycarpa
野决明	Wild Thermopsis	Thermopsis lupinoides

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型